Metabolite Finerenone M1 Metabolite

Name

Finerenone M1 Metabolite

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

T2MLY6W3QV

CAS number

Not Available

Weight

Average: 376.416
Monoisotopic: 376.15354052

Chemical Formula

C₂₁H₂₀N₄O₃

InChI Key

LLVQDSTWXBMTSL-UHFFFAOYSA-N

InChI

InChI=1S/C21H20N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10H,5H2,1-4H3,(H2,23,26)

IUPAC Name

4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,6-naphthyridine-3-carboxamide

SMILES

CCOC1=NC=C(C)C2=NC(C)=C(C(N)=O)C(C3=CC=C(C=C3OC)C#N)=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0009000000-acd900c965a59db67474
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0009000000-99034f9123ddcce4356d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-b9c619c8092d92024798
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fba-0009000000-83f2cd2081c088f8b7ca
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ur-0159000000-26df91c910f0dd9a6fca
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-6009000000-669e1956537d0c94995e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	191.71352	predicted	DeepCCS 1.0 (2019)
[M+H]+	194.0715	predicted	DeepCCS 1.0 (2019)
[M+Na]+	200.68163	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties